NP-MRD: Showing NP-Card for 3,5-Dihydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one (NP0052863)

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Record Information

Version

2.0

Created at

2022-04-27 23:46:16 UTC

Updated at

2022-04-27 23:46:16 UTC

NP-MRD ID

NP0052863

Secondary Accession Numbers

None

Natural Product Identification

Common Name

3,5-Dihydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one

Description

Kaempferol 7,4'-dimethyl ether belongs to the class of organic compounds known as flavonols. Flavonols are compounds that contain a flavone (2-phenyl-1-benzopyran-4-one) backbone carrying a hydroxyl group at the 3-position. Thus, kaempferol 7,4'-dimethyl ether is considered to be a flavonoid lipid molecule. 3,5-Dihydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one is found in Aeonium sedifolium, Alpinia flabellata, Alpinia flabellata Ridley, Aniba spp., Argyrochosma nivea, Betula ermanii, Betula nigra , Calceolaria mexicana, Cheilanthes farinosa , Cheilanthes grisea, Cistus spp., Dodonaea viscosa , Flourensia cernua, Haplopappus hirtellus, Heliotropium stenophyllum, Lennoa madreporoides, Madia elegans, Mirabilis viscosa, Notholaena nivea, Notholaena standleyi, Odontites viscosa, Ozothamnus scutellifolius, Pityrogramma triangularis, Salvia chionopeplica, Serratula strangulata , Spiranthes australis (R.BROWN) LINDL., Spiranthes sinensis, Stevia subpubescens, Tamarix chinensis, Cleome spinosa and Wigandia urens. Kaempferol 7,4'-dimethyl ether is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 37 39  0  0  0  0  0  0  0  0999 V2000
    6.1951    2.4057   -0.5500 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0127    1.0048   -0.5580 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6950    0.5213   -0.4711 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4187   -0.8129   -0.4714 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1071   -1.2702   -0.3846 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0434   -0.4307   -0.2959 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6374   -0.7988   -0.2012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2746    0.1696   -0.1212 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5495    0.0022   -0.0328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4296    1.0801    0.0465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7904    0.8956    0.1408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6424    2.0124    0.2187 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0481    1.7834    0.3152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3029   -0.3866    0.1577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4793   -1.4802    0.0822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9064   -2.7950    0.0925 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1004   -1.2697   -0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2311   -2.3304   -0.0913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6480   -3.5122   -0.0797 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1383   -2.0734   -0.1851 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0147   -3.1390   -0.2640 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3551    0.9349   -0.2977 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6351    1.4047   -0.3821 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2438    2.7047   -0.5867 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6893    2.7734    0.3906 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5750    2.8115   -1.3801 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2053   -1.5336   -0.5384 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9507   -2.3161   -0.3891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9891    2.0743    0.0304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3674    1.0719   -0.4906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6158    2.7134    0.1428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3318    1.3237    1.2786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3674   -0.5513    0.2313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8897   -3.0383    0.1589 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6689   -4.0847   -0.2537 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5567    1.6540   -0.2299 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8216    2.4816   -0.3792 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6 22  1  0
 22 23  2  0
  6  7  1  0
  7 20  2  0
 20 21  1  0
 20 18  1  0
 18 19  2  0
 18 17  1  0
 17 15  2  0
 15 16  1  0
 15 14  1  0
 14 11  2  0
 11 12  1  0
 12 13  1  0
 11 10  1  0
 10  9  2  0
  9  8  1  0
 23  3  1  0
  8  7  1  0
  9 17  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
  4 27  1  0
  5 28  1  0
 22 36  1  0
 23 37  1  0
 21 35  1  0
 16 34  1  0
 14 33  1  0
 13 30  1  0
 13 31  1  0
 13 32  1  0
 10 29  1  0
M  END


  Mrv1533004261507162D          

 23 25  0  0  0  0            999 V2000
   -2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  3  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  0  0  0  0
  9 19  1  0  0  0  0
 16 20  1  0  0  0  0
 20 21  1  0  0  0  0
 14 22  1  0  0  0  0
 10 23  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0052863

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC=C(C=C1)C1=C(O)C(=O)C2=C(O)C=C(OC)C=C2O1

> <INCHI_IDENTIFIER>
InChI=1S/C17H14O6/c1-21-10-5-3-9(4-6-10)17-16(20)15(19)14-12(18)7-11(22-2)8-13(14)23-17/h3-8,18,20H,1-2H3

> <INCHI_KEY>
KZBAXKKOXPLOBX-UHFFFAOYSA-N

> <FORMULA>
C17H14O6

> <MOLECULAR_WEIGHT>
314.293

> <EXACT_MASS>
314.079038171

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
37

> <JCHEM_AVERAGE_POLARIZABILITY>
31.854013077175523

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
3,5-dihydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-chromen-4-one

> <ALOGPS_LOGP>
2.55

> <JCHEM_LOGP>
2.7516528976666663

> <ALOGPS_LOGS>
-3.77

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.318607256294545

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.1510949126539325

> <JCHEM_PKA_STRONGEST_BASIC>
-3.8564628618097627

> <JCHEM_POLAR_SURFACE_AREA>
85.22000000000001

> <JCHEM_REFRACTIVITY>
83.8459

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.39e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
kaempferol 7,4'-dimethyl ether

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 26-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   26-APR-15         0                                  
HETATM    1  C   UNK     0      -4.001  -6.930   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -4.001  -5.390   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -2.667  -4.620   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -2.667  -3.080   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.000  -4.620   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -1.334  -5.390   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       2.667   1.540   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       2.667  -3.080   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       8.002  -3.080   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       9.336  -2.310   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       5.335   1.540   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    8                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7    9                                                  
CONECT    7    6    8                                                       
CONECT    8    7    3                                                       
CONECT    9    6   10   19                                                  
CONECT   10    9   11   23                                                  
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14   18                                                  
CONECT   14   13   15   22                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17   20                                                  
CONECT   17   16   18                                                       
CONECT   18   17   13   19                                                  
CONECT   19   18    9                                                       
CONECT   20   16   21                                                       
CONECT   21   20                                                            
CONECT   22   14                                                            
CONECT   23   10                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   50    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₇H₁₄O₆

Average Mass

314.2930 Da

Monoisotopic Mass

314.07904 Da

IUPAC Name

3,5-dihydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-chromen-4-one

Traditional Name

kaempferol 7,4'-dimethyl ether

CAS Registry Number

Not Available

SMILES

COC1=CC=C(C=C1)C1=C(O)C(=O)C2=C(O)C=C(OC)C=C2O1

InChI Identifier

InChI=1S/C17H14O6/c1-21-10-5-3-9(4-6-10)17-16(20)15(19)14-12(18)7-11(22-2)8-13(14)23-17/h3-8,18,20H,1-2H3

InChI Key

KZBAXKKOXPLOBX-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Aeonium sedifolium	Plant	KNApSAcK
Alpinia flabellata	LOTUS Database	35616633
Alpinia flabellata Ridley	Plant	KNApSAcK
Aniba spp.	Plant	KNApSAcK
Argyrochosma nivea	LOTUS Database	35616633
Betula ermanii	Plant	KNApSAcK
Betula nigra	Plant	KNApSAcK
Calceolaria mexicana	Plant	KNApSAcK
Cheilanthes farinosa	Plant	KNApSAcK
Cheilanthes grisea	Plant	KNApSAcK
Cistus spp.	Plant	KNApSAcK
Dodonaea viscosa	Plant	KNApSAcK
Flourensia cernua	Plant	KNApSAcK
Haplopappus hirtellus	Plant	KNApSAcK
Heliotropium stenophyllum	Plant	KNApSAcK
Lennoa madreporoides	Plant	KNApSAcK
Madia elegans	Plant	KNApSAcK
Mirabilis viscosa	Plant	KNApSAcK
Notholaena nivea	Plant	KNApSAcK
Notholaena standleyi	Plant	KNApSAcK
Odontites viscosa	Plant	KNApSAcK
Ozothamnus scutellifolius	Plant	KNApSAcK
Pityrogramma triangularis	Plant	KNApSAcK
Salvia chionopeplica	Plant	KNApSAcK
Serratula strangulata	Plant	KNApSAcK
Spiranthes australis (R.BROWN) LINDL.	Plant	KNApSAcK
Spiranthes sinensis	LOTUS Database	35616633
Stevia subpubescens	Plant	KNApSAcK
Tamarix chinensis	Plant	KNApSAcK
Tarenaya spinosa	Plant	KNApSAcK
Wigandia urens	Plant	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as flavonols. Flavonols are compounds that contain a flavone (2-phenyl-1-benzopyran-4-one) backbone carrying a hydroxyl group at the 3-position.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavones

Direct Parent

Flavonols

Alternative Parents

Substituents

3-hydroxyflavone
4p-methoxyflavonoid-skeleton
7-methoxyflavonoid-skeleton
Hydroxyflavonoid
3-hydroxyflavonoid
5-hydroxyflavonoid
Chromone
1-benzopyran
Benzopyran
Anisole
Phenol ether
Phenoxy compound
Methoxybenzene
1-hydroxy-2-unsubstituted benzenoid
1-hydroxy-4-unsubstituted benzenoid
Pyranone
Alkyl aryl ether
Monocyclic benzene moiety
Benzenoid
Pyran
Vinylogous acid
Heteroaromatic compound
Organoheterocyclic compound
Oxacycle
Ether
Organic oxide
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Flavones and Flavonols (LMPK12112595 )

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	2.55	ALOGPS
logP	2.75	ChemAxon
logS	-3.8	ALOGPS
pKa (Strongest Acidic)	7.15	ChemAxon
pKa (Strongest Basic)	-3.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	85.22 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	83.85 m³·mol⁻¹	ChemAxon
Polarizability	31.85 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

5378823

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for 3,5-Dihydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one (NP0052863)

MOL for NP0052863 (3,5-Dihydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one)

3D MOL for NP0052863 (3,5-Dihydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one)

3D SDF for NP0052863 (3,5-Dihydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one)

3D-SDF for NP0052863 (3,5-Dihydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one)

PDB for NP0052863 (3,5-Dihydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one)

3D PDB for NP0052863 (3,5-Dihydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one)

SMILES for NP0052863 (3,5-Dihydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one)

INCHI for NP0052863 (3,5-Dihydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one)

Structure for NP0052863 (3,5-Dihydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one)

3D Structure for NP0052863 (3,5-Dihydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one)